(3Z)-2-fluoro-5-(2-methoxyethoxy)hexa-1,3,5-triene

C9H13FO2 — CID 143331079

IUPAC(3Z)-2-fluoro-5-(2-methoxyethoxy)hexa-1,3,5-triene
SMILESC=C(F)/C=C\C(=C)OCCOC
InChIInChI=1S/C9H13FO2/c1-8(10)4-5-9(2)12-7-6-11-3/h4-5H,1-2,6-7H2,3H3/b5-4-
InChIKeyVFTWRMFGDMGBMJ-PLNGDYQASA-N
MW172.20 g/mol
LogP2.20
Rot. Bonds6

About (3Z)-2-fluoro-5-(2-methoxyethoxy)hexa-1,3,5-triene

(3Z)-2-fluoro-5-(2-methoxyethoxy)hexa-1,3,5-triene (PubChem CID 143331079) has the molecular formula C9H13FO2 and a molecular weight of 172.20 g/mol. Its IUPAC name is (3Z)-2-fluoro-5-(2-methoxyethoxy)hexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-2-fluoro-5-(2-methoxyethoxy)hexa-1,3,5-triene
PubChem CID143331079
Molecular FormulaC9H13FO2
Molecular Weight172.20 g/mol
Exact Mass172.09
IUPAC Name(3Z)-2-fluoro-5-(2-methoxyethoxy)hexa-1,3,5-triene
SMILESC=C(F)/C=C\C(=C)OCCOC
InChIInChI=1S/C9H13FO2/c1-8(10)4-5-9(2)12-7-6-11-3/h4-5H,1-2,6-7H2,3H3/b5-4-
InChIKeyVFTWRMFGDMGBMJ-PLNGDYQASA-N
XLogP2.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(6Z)-2,3-difluoro-2,3-dimethyl-5,8-dihydro-1,4-dioxocine
CID 18335871
2,3-difluoro-2,3,7-trimethyl-5H-1,4-dioxepine
CID 20649605
(2E,4Z)-3-[(1E,3E)-4-fluoropenta-1,3-dienoxy]hexa-2,4-diene
CID 89030803
(3E,5Z)-7-fluoro-4-(3-methoxypropoxy)hepta-1,3,5-triene
CID 89318711
(3E,5E)-6-fluoro-3-(3-methoxypropoxy)hepta-1,3,5-triene
CID 89318749
(3Z,5E)-2-fluoro-5-(3-methoxypropoxy)hepta-1,3,5-triene
CID 89318773
(2E,4E,6Z)-2-fluoro-5-(3-methoxypropoxy)octa-2,4,6-triene
CID 89318777
(3E)-2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene
CID 90061486
3,4-Diethoxy-2-fluorohexa-2,4-diene
CID 123318263
3-Ethoxy-2-fluorohexa-1,3,5-triene
CID 123454257
2-(2-Fluoroethoxy)-3-methoxypenta-1,3-diene
CID 123737328
(2Z,4E)-1-methoxy-5-(trifluoromethoxy)hexa-2,4-diene
CID 138465035

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-fluoro-5-(2-methoxyethoxy)hexa-1,3,5-triene?
The IUPAC name of (3Z)-2-fluoro-5-(2-methoxyethoxy)hexa-1,3,5-triene (CID 143331079) is (3Z)-2-fluoro-5-(2-methoxyethoxy)hexa-1,3,5-triene.
What is the SMILES notation for (3Z)-2-fluoro-5-(2-methoxyethoxy)hexa-1,3,5-triene?
The canonical SMILES for (3Z)-2-fluoro-5-(2-methoxyethoxy)hexa-1,3,5-triene is C=C(F)/C=C\C(=C)OCCOC.
What is the InChIKey of (3Z)-2-fluoro-5-(2-methoxyethoxy)hexa-1,3,5-triene?
The InChIKey is VFTWRMFGDMGBMJ-PLNGDYQASA-N. The full InChI is InChI=1S/C9H13FO2/c1-8(10)4-5-9(2)12-7-6-11-3/h4-5H,1-2,6-7H2,3H3/b5-4-.
What are the key properties of (3Z)-2-fluoro-5-(2-methoxyethoxy)hexa-1,3,5-triene?
(3Z)-2-fluoro-5-(2-methoxyethoxy)hexa-1,3,5-triene has a molecular weight of 172.20 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-fluoro-5-(2-methoxyethoxy)hexa-1,3,5-triene is sourced from PubChem (CID 143331079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).